SCHEMBL965331

SCHEMBL965331

CC(CCCc1ccc(CCCCN)cc1)N[C@@H](C)[C@H](O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.57
CYP2D6 P10635 5/20 0.57
CYP2C19 P33261 4/20 0.57
HIF1A Q16665 4/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 3/20 0.57
CYP1A2 P05177 3/20 0.57
HTR2A P28223 3/20 0.57
SLC6A2 P23975 3/20 0.57
OPRM1 P35372 3/20 0.57
SLC6A3 Q01959 3/20 0.57
ADRB2 P07550 3/20 0.57
ADRA2C P18825 2/20 0.57
CYP3A4 P08684 2/20 0.57
TSHR P16473 2/20 0.57
NFKB1 P19838 2/20 0.57
HTR1A P08908 2/20 0.57
ADRA2A P08913 2/20 0.57
DRD3 P35462 2/20 0.57
KCNH2 Q12809 2/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL968204 1.00 ADRA1A (0.57) ADRA1ACYP2D6CYP2C19HIF1ALMNA
SCHEMBL965329 1.00 ADRA1A (0.57) ADRA1ACYP2D6CYP2C19HIF1ALMNA
SCHEMBL11918929 0.84 LMNA (0.52) ADRA1ACYP2D6CYP2C19HIF1ALMNA
SCHEMBL10126780 0.78 ADRA1A (0.57) ADRA1ACYP2D6CYP2C19HIF1ALMNA
SCHEMBL10126794 0.78 ADRA1A (0.57) ADRA1ACYP2D6CYP2C19HIF1ALMNA
SCHEMBL964411 0.77 ADRA1A (0.52) ADRA1ACYP2D6CYP2C19HIF1ALMNA
SCHEMBL964412 0.77 ADRA1A (0.52) ADRA1ACYP2D6CYP2C19HIF1ALMNA
SCHEMBL964413 0.77 ADRA1A (0.52) ADRA1ACYP2D6CYP2C19HIF1ALMNA
SCHEMBL964414 0.77 ADRA1A (0.52) ADRA1ACYP2D6CYP2C19HIF1ALMNA
SCHEMBL2054503 0.77 ADRA1A (0.52) ADRA1ACYP2D6CYP2C19HIF1ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035004-B1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES INC (US) 2012-08-08 EP disclosed
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G ADRA1A 91/4885CYP2D6 2283/4885CYP2C19 2302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.